Organic molecules for use in optoelectronic devices

ABSTRACT

Organic molecules are provided for use in optoelectronic devices. The organic molecules are purely organic molecules, i.e., they do not contain any metal ions. The organic molecules exhibit emission maxima in the blue, sky-blue or green spectral range. The organic molecules exhibit emission maxima between 420 nm and 520 nm, between 440 nm and 495 nm, or between 450 nm and 470 nm. The photoluminescence quantum yields of the organic molecules are 20% or more. The molecules exhibit thermally activated delayed fluorescence (TADF). The use of the molecules in an optoelectronic device, e.g., an organic light-emitting diode (OLED) leads to higher efficiencies of the device. Corresponding OLEDs have a higher stability than OLEDs with known emitter materials and comparable color.

CROSS-REFERENCE TO RELATED APPLICATIONS

This application claims priority to European Application No. EP 17 196617.9 filed on Oct. 16, 2017, the disclosure of which is incorporated byreference herein in its entirety.

FIELD OF INVENTION

The invention relates to organic light-emitting molecules and their usein organic light-emitting diodes (OLEDs) and in other optoelectronicdevices.

SUMMARY

The invention relates to an organic compound, in particular for the usein optoelectronic devices. According to the invention, the organiccompound has

-   -   a first chemical moiety with a structure of formula I,

and

-   -   two second chemical moieties, each independently with a        structure of formula II,

wherein the first chemical moiety is linked to each of the two secondchemical moieties via a single bond;whereinT, V is selected from the group consisting of R^(A) and R¹;W, X, Y is the binding site of a single bond linking the first chemicalmoiety to one of the two second chemical moieties or is selected fromthe group consisting of R^(A) and R²;R^(T), R^(V) is selected from the group consisting of CF₃ and R^(I);R^(W), R^(X), R^(Y) is the binding site of a single bond linking thefirst chemical moiety to one of the two second chemical moieties or isselected from the group consisting of CF₃ and R^(I).

BRIEF DESCRIPTION OF THE DRAWINGS

Exemplary embodiments of the present invention will be described belowin more detail, with reference to the accompanying drawings, of which:

FIG. 1 is an emission spectrum of example 1 (10% by weight) in PMMA.

FIG. 2 is an emission spectrum of example 2 (10% by weight) in PMMA.

DETAILED DESCRIPTION OF EXEMPLARY EMBODIMENTS OF THE INVENTION

Exemplary embodiments of the invention will now be discussed in furtherdetail. This invention may, however, be embodied in many different formsand should not be construed as limited to the embodiments set forthherein.

The object of the present invention is to provide molecules which aresuitable for use in optoelectronic devices.

This object is achieved by the invention which provides a new class oforganic molecules.

The organic molecules of the invention are purely organic molecules,i.e. they do not contain any metal ions in contrast to metal complexesknown for use in optoelectronic devices.

According to the present invention, the organic molecules exhibitemission maxima in the blue, sky-blue or green spectral range. Theorganic molecules exhibit in particular emission maxima between 420 nmand 520 nm, preferably between 440 nm and 495 nm, more preferablybetween 450 nm and 470 nm. The photoluminescence quantum yields of theorganic molecules according to the invention are, in particular, 20% ormore. The molecules according to the invention exhibit in particularthermally activated delayed fluorescence (TADF). The use of themolecules according to the invention in an optoelectronic device, forexample an organic light-emitting diode (OLED), leads to higherefficiencies of the device. Corresponding OLEDs have a higher stabilitythan OLEDs with known emitter materials and comparable color.

The organic light-emitting molecules of the invention comprise orconsist of one first chemical moiety comprising or consisting of astructure of Formula I,

and

-   -   two second chemical moieties, each independently from another        comprising or consisting of a structure of Formula II,

wherein the first chemical moiety is linked to each of the two secondchemical moieties via a single bond.T is selected from the group consisting of R^(A) and R¹.V is selected from the group consisting of R^(A) and R¹.W is the binding site of a single bond linking the first chemical moietyto one of the two second chemical moieties or is selected from the groupconsisting of R^(A) and R².X is the binding site of a single bond linking the first chemical moietyto one of the two second chemical moieties or is selected from the groupconsisting of R^(A) and R².Y is the binding site of a single bond linking the first chemical moietyto one of the two second chemical moieties or is selected from the groupconsisting of R^(A) and R².R^(A) comprises or consists a structure of Formula Tz:

wherein the dotted bond represents the binding site of R^(A) to thesingle bond linking the first chemical moiety and R^(A).R^(T) is selected from the group consisting of CF₃ and R^(I).R^(V) is selected from the group consisting of CF₃ and R^(I).R^(W) is the binding site of a single bond linking the first chemicalmoiety to one of the two second chemical moieties or is selected fromthe group consisting of CF₃ and R^(I).R^(X) is the binding site of a single bond linking the first chemicalmoiety to one of the two second chemical moieties or is selected fromthe group consisting of CF₃ and R^(I).R^(Y) is the binding site of a single bond linking the first chemicalmoiety to one of the two second chemical moieties or is selected fromthe group consisting of CF₃ and R^(I).# represents the binding site of a single bond linking the secondchemical moieties to the first chemical moiety;Z is at each occurrence independently from another selected from thegroup consisting of a direct bond, CR³R⁴, C═CR³R⁴, C═O, C═NR³, NR³, O,SiR³R⁴, S, S(O) and S(O)₂;R¹ is at each occurrence independently from another selected from thegroup consisting ofhydrogen,deuterium,C₁-C₅-alkyl,

-   -   wherein one or more hydrogen atoms are optionally substituted by        deuterium;        C₂-C₈-alkenyl,    -   wherein one or more hydrogen atoms are optionally substituted by        deuterium;        C₂-C₈-alkynyl,    -   wherein one or more hydrogen atoms are optionally substituted by        deuterium; and        C₈-C₁₈-aryl,    -   which is optionally substituted with one or more substituents        R⁶.        R² is at each occurrence independently from another selected        from the group consisting of        hydrogen,        deuterium,        C₁-C₅-alkyl,    -   wherein one or more hydrogen atoms are optionally substituted by        deuterium;        C₂-C₈-alkenyl,    -   wherein one or more hydrogen atoms are optionally substituted by        deuterium;        C₂-C₈-alkynyl,    -   wherein one or more hydrogen atoms are optionally substituted by        deuterium; and        C₈-C₁₈-aryl,    -   which is optionally substituted with one or more substituents        R⁶.        R^(I) is at each occurrence independently from another selected        from the group consisting of        hydrogen,        deuterium,        C₁-C₈-alkyl,    -   wherein one or more hydrogen atoms are optionally substituted by        deuterium;        C₂-C₈-alkenyl,    -   wherein one or more hydrogen atoms are optionally substituted by        deuterium;        C₂-C₈-alkynyl,    -   wherein one or more hydrogen atoms are optionally substituted by        deuterium; and        C₈-C₁₈-aryl,    -   which is optionally substituted with one or more substituents        R⁶.        R^(Tz) is at each occurrence independently from another selected        from the group consisting of        hydrogen,        deuterium,        C₁-C₈-alkyl,    -   wherein one or more hydrogen atoms are optionally substituted by        deuterium;        C₈-C₁₈-aryl,    -   which is optionally substituted with one or more substituents        R⁶; and        C₃-C₁₇-heteroaryl,    -   which is optionally substituted with one or more substituents        R⁶.        R^(a), R³ and R⁴ is at each occurrence independently from        another selected from the group consisting of hydrogen,        deuterium, N(R⁵)₂, OR⁵, Si(R⁵)₃, B(OR⁵)₂, OSO₂R⁵, CF₃, CN, F,        Br, I,        C₁-C₄₀-alkyl,    -   which is optionally substituted with one or more substituents R⁵        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,        C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;        C₁-C₄₀-alkoxy,    -   which is optionally substituted with one or more substituents R⁵        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,        C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;        C₁-C₄₀-thioalkoxy,    -   which is optionally substituted with one or more substituents R⁵        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,        C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;        C₂-C₄₀-alkenyl,    -   which is optionally substituted with one or more substituents R⁵        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,        C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;        C₂-C₄₀-alkynyl,    -   which is optionally substituted with one or more substituents R⁵        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,        C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;        C₆-C₆₀-aryl,    -   which is optionally substituted with one or more substituents        R⁵; and        C₃-C₅₇-heteroaryl,    -   which is optionally substituted with one or more substituents        R⁵.        R⁵ is at each occurrence independently from another selected        from the group consisting of hydrogen, deuterium, N(R⁶)₂, OR⁶,        Si(R⁶)₃, B(OR⁶)₂, OSO₂R⁶, CF₃, CN, F, Br, I,        C₁-C₄₀-alkyl,    -   which is optionally substituted with one or more substituents R⁶        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁶C═CR⁶, C≡C, Si(R⁶)₂, Ge(R⁶)₂, Sn(R⁶)₂, C═O,        C═S, C═Se, C═NR⁶, P(═O)(R⁶), SO, SO₂, NR⁶, O, S or CONR⁶;        C₁-C₄₀-alkoxy,    -   which is optionally substituted with one or more substituents R⁶        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁶C═CR⁶, C≡C, Si(R⁶)₂, Ge(R⁶)₂, Sn(R⁶)₂, C═O,        C═S, C═Se, C═NR⁶, P(═O)(R⁶), SO, SO₂, NR⁶, O, S or CONR⁶;        C₁-C₄₀-thioalkoxy,    -   which is optionally substituted with one or more substituents R⁶        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁶C═CR⁶, C≡C, Si(R⁶)₂, Ge(R⁶)₂, Sn(R⁶)₂, C═O,        C═S, C═Se, C═NR⁶, P(═O)(R⁶), SO, SO₂, NR⁶, O, S or CONR⁶;        C₂-C₄₀-alkenyl,    -   which is optionally substituted with one or more substituents R⁶        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁶C═CR⁶, C≡C, Si(R⁶)₂, Ge(R⁶)₂, Sn(R⁶)₂, C═O,        C═S, C═Se, C═NR⁶, P(═O)(R⁶), SO, SO₂, NR⁶, O, S or CONR⁶;        C₂-C₄₀-alkynyl,    -   which is optionally substituted with one or more substituents R⁶        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁶C═CR⁶, C≡C, Si(R⁶)₂, Ge(R⁶)₂, Sn(R⁶)₂, C═O,        C═S, C═Se, C═NR⁶, P(═O)(R⁶), SO, SO₂, NR⁶, O, S or CONR⁶;        C₆-C₆₀-aryl,    -   which is optionally substituted with one or more substituents        R⁶; and        C₃-C₅₇-heteroaryl,    -   which is optionally substituted with one or more substituents        R⁶.        R⁶ is at each occurrence independently from another selected        from the group consisting of hydrogen, deuterium, OPh, CF₃, CN,        F,        C₁-C₅-alkyl,    -   wherein optionally one or more hydrogen atoms are independently        from each other substituted by deuterium, CN, CF₃, or F;        C₁-C₅-alkoxy,    -   wherein optionally one or more hydrogen atoms are independently        from each other substituted by deuterium, CN, CF₃, or F;        C₁-C₅-thioalkoxy,    -   wherein optionally one or more hydrogen atoms are independently        from each other substituted by deuterium, CN, CF₃, or F;        C₂-C₅-alkenyl,    -   wherein optionally one or more hydrogen atoms are independently        from each other substituted by deuterium, CN, CF₃, or F;        C₂-C₅-alkynyl,    -   wherein optionally one or more hydrogen atoms are independently        from each other substituted by deuterium, CN, CF₃, or F;        C₆-C₁₈-aryl,    -   which is optionally substituted with one or more C₁-C₅-alkyl        substituents;        C₃-C₁₇-heteroaryl,    -   which is optionally substituted with one or more C₁-C₅-alkyl        substituents;        N(C₆-C₁₈-aryl)₂,        N(C₃-C₁₇-heteroaryl)₂; and        N(C₃-C₁₇-heteroaryl)(C₆-C₁₈-aryl).

The substituents R^(a), R³, R⁴ or R⁵ independently from each other canoptionally form a mono- or polycyclic, aliphatic, aromatic and/orbenzo-fused ring system with one or more substituents R^(a), R³, R⁴ orR⁵.

According to the invention exactly one (one and only one) substituentselected from the group consisting of T, V, X, Y and W is R^(A); exactlyone substituent selected from the group consisting of R^(T), R^(V),R^(X), R^(Y) and R^(W) is CF₃; exactly one substituent selected from thegroup consisting of W, Y and X represents the binding site of a singlebond linking the first chemical moiety and one of the two secondchemical moieties and exactly one substituent selected from the groupconsisting of R^(W), R^(Y) and R^(X) represents the binding site of asingle bond linking the first chemical moiety and one of the two secondchemical moieties.

In one embodiment of the invention, exactly one substituent selectedfrom the group consisting of T, V and W is R^(A); exactly onesubstituent selected from the group consisting of R^(T), R^(V) and R^(W)is CF₃; exactly one substituent selected from the group consisting of W,Y and X represents the binding site of a single bond linking the firstchemical moiety and one of the two second chemical moieties and exactlyone substituent selected from the group consisting of R^(W), R^(X) andR^(Y) represents the binding site of a single bond linking the firstchemical moiety and one of the two second chemical moieties;

and apart from that the aforementioned definitions apply.

In one embodiment of the invention,

-   T is selected from the group consisting of R^(A) and R¹;-   V is selected from the group consisting of R^(A) and R¹;-   W is selected from the group consisting of the binding site of a    single bond linking the first chemical moiety to one of the two    second chemical moieties, R^(A) and R²;-   X is selected from the group consisting of the binding site of a    single bond linking the first chemical moiety to one of the two    second chemical moieties and R²;-   Y is selected from the group consisting of the binding site of a    single bond linking the first chemical moiety to one of the two    second chemical moieties and R²;-   R^(V) is selected from the group consisting of CF₃ and R^(I);-   R^(T) is selected from the group consisting of CF₃ and R^(I);-   R^(W) is selected from the group consisting of the binding site of a    single bond linking the first chemical moiety to one of the two    second chemical moieties, CF₃ and R^(I);-   R^(X) is selected from the group consisting of the binding site of a    single bond linking the first chemical moiety to one of the two    second chemical moieties and R^(I);-   R^(Y) is selected from the group consisting of the binding site of a    single bond linking the first chemical moiety to one of the two    second chemical moieties and R^(I);    wherein exactly one substituent selected from the group consisting    of T, V and W is R^(A); exactly one substituent selected from the    group consisting of R^(T), R^(V) and R^(W) is CF₃; exactly one    substituent selected from the group consisting of W, Y and X    represents the binding site of a single bond linking the first    chemical moiety and one of the two second chemical moieties and    exactly one substituent selected from the group consisting of R^(W),    R^(X) and R^(Y) represents the binding site of a single bond linking    the first chemical moiety and one of the two second chemical    moieties;    and apart from that the aforementioned definitions apply.

In one embodiment of the invention, first chemical moiety comprises orconsists of a structure of Formula Ia:

wherein R¹, R², R^(I), R^(Tz), R^(T), and R^(V) are defined as above,R^(Z) is selected from the group consisting of R^(I) and CF₃,R^(D) is the binding site of a single bond linking the first chemicalmoiety to one of the two second chemical moieties,Y^(D) is the binding site of a single bond linking the first chemicalmoiety to one of the two second chemical moieties,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In one embodiment, R¹, R², and R^(I) is at each occurrence independentlyfrom another selected from the group consisting of hydrogen (H), methyl,mesityl, tolyl and phenyl. The term “tolyl” refers to 2-tolyl, 3-tolyl,and 4-tolyl.

In one embodiment, R¹, R², and R^(I) is at each occurrence independentlyfrom another selected from the group consisting of hydrogen (H), methyl,and phenyl.

In one embodiment, R^(V) is CF₃.

In one embodiment, R^(T) is CF₃.

In one embodiment, R^(W) is CF₃.

In one embodiment, R^(Z) is CF₃.

In one embodiment, V is R^(A).

In one embodiment, T is R^(A).

In one embodiment, W is R^(A).

In one embodiment, R^(V) is CF₃ and V is R^(A).

In one embodiment, R^(V) is CF₃ and W is R^(A).

In one embodiment, R^(V) is CF₃ and T is R^(A).

In one embodiment, R^(W) is CF₃ and W is R^(A).

In one embodiment, R^(W) is CF₃ and T is R^(A).

In one embodiment, R^(W) is CF₃ and V is R^(A).

In one embodiment, R^(T) is CF₃ and W is R^(A).

In one embodiment, R^(T) is CF₃ and T is R^(A).

In one embodiment, R^(T) is CF₃ and V is R^(A).

In a further embodiment of the invention, R^(Tz) is independently fromeach other selected from the group consisting of H, methyl,

-   -   phenyl, which is optionally substituted with one or more        substituents R⁶;    -   1,3,5-triazinyl, which is optionally substituted with one or        more substituents R⁶;    -   pyridinyl, which is optionally substituted with one or more        substituents R⁶; and    -   pyrimidinyl, which is optionally substituted with one or more        substituents R⁶.

In a further embodiment of the invention, R^(Tz) is independently fromeach other selected from the group consisting of: H, methyl, and phenyl.

In a further embodiment of the invention R^(Tz) is phenyl at eachoccurrence.

In a further embodiment of the invention, the two second chemicalmoieties each at each occurrence independently from another comprise orconsist of a structure of Formula IIa:

wherein # and R^(a) are defined as above.

In a further embodiment of the invention, R^(a) is at each occurrenceindependently from another selected from the group consisting of:

-   H,-   Me,-   ^(i)Pr,-   ^(t)Bu,-   CN,-   CF₃,-   Ph, which is optionally substituted with one or more substituents    independently from each other selected from the group consisting of    Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   pyridinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   pyrimidinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   carbazolyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   triazinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph, and N(Ph)₂.

In a further embodiment of the invention, R^(a) is at each occurrenceindependently from another selected from the group consisting of

-   H,-   Me,-   ^(i)Pr,-   ^(t)Bu,-   CN,-   CF₃,-   Ph, which is optionally substituted with one or more substituents    independently from each other selected from the group consisting of    Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   pyridinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   pyrimidinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph, and-   triazinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph.

In a further embodiment of the invention, R^(a) is at each occurrenceindependently from another selected from the group consisting of:

-   H,-   Me,-   ^(t)Bu,-   Ph, which is optionally substituted with one or more substituents    independently from each other selected from the group consisting of    Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   triazinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph.

In a further embodiment of the invention, R^(a) is H at each occurrence.

In a further embodiment of the invention, the two second chemicalmoieties each at each occurrence independently from another comprise orconsist of a structure selected from the group consisting of: FormulaIIb, Formula IIb-2, Formula IIb-3, and Formula IIb-4:

whereinR^(b) is at each occurrence independently from another selected from thegroup consisting of:deuterium,N(R⁵)₂,

OR⁵,

Si(R⁵)₃,B(OR⁵)₂,OSO₂R⁵,

CF₃, CN, F, Br, I,

C₁-C₄₀-alkyl,

-   -   which is optionally substituted with one or more substituents R⁵        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,        C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;        C₁-C₄₀-alkoxy,    -   which is optionally substituted with one or more substituents R⁵        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,        C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;        C₁-C₄₀-thioalkyl,    -   which is optionally substituted with one or more substituents R⁵        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,        C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;        C₂-C₄₀-alkenyl,    -   which is optionally substituted with one or more substituents R⁵        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,        C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;        C₂-C₄₀-alkynyl,    -   which is optionally substituted with one or more substituents R⁵        and    -   wherein one or more non-adjacent CH₂-groups are optionally        substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,        C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;        C₆-C₆₀-aryl,    -   which is optionally substituted with one or more substituents        R⁵; and        C₃-C₅₇-heteroaryl,    -   which is optionally substituted with one or more substituents        R⁵.

For the other variables, the aforementioned definitions apply.

In one additional embodiment of the invention, the two second chemicalmoieties at each occurrence independently from another comprise orconsist of a structure selected from the group consisting of: FormulaIIc Formula IIc-2, Formula IIc-3 and Formula IIc-4:

wherein the aforementioned definitions apply.

In a further embodiment of the invention, R^(b) is at each occurrenceindependently from another selected from the group consisting of:

-   Me,-   ^(i)Pr,-   ^(t)Bu,-   CN,-   CF₃,-   Ph, which is optionally substituted with one or more substituents    independently from each other selected from the group consisting of    Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   pyridinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   carbazolyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   triazinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph, and N(Ph)₂.

In a further embodiment of the invention, R^(b) is at each occurrenceindependently from another selected from the group consisting of:

-   Me,-   ^(i)Pr,-   ^(t)Bu,-   CN,-   CF₃,-   Ph, which is optionally substituted with one or more substituents    independently from each other selected from the group consisting of    Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   pyridinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   pyrimidinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph, and-   triazinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph.

In a further embodiment of the invention, R^(b) is at each occurrenceindependently from another selected from the group consisting of:

-   Me,-   ^(t)Bu,-   Ph, which is optionally substituted with one or more substituents    independently from each other selected from the group consisting of    Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph,-   triazinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph.

In the following, exemplary embodiments of the second chemical moietyare shown:

wherein for #, Z, R^(a), R³, R⁴ and R⁵ the aforementioned definitionsapply.

In one embodiment, R^(a) and R⁵ is at each occurrence independently fromanother selected from the group consisting of: hydrogen (H), methyl(Me), i-propyl (CH(CH₃)₂) (^(i)Pr), t-butyl (^(t)Bu), phenyl (Ph), CN,CF₃, and diphenylamine (NPh₂).

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula III:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula III and R^(V) is CF₃.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula III-1 andFormula III-2:

wherein the aforementioned definitions apply.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula IIIa-1 andFormula IIIa-2:

-   wherein-   R^(c) is at each occurrence independently from another selected from    the group consisting of:-   Me,-   ^(V)Pr,-   ^(t)Bu,-   Ph, which is optionally substituted with one or more substituents    independently from each other selected from the group consisting of    Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph;-   pyridinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph;-   pyrimidinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph;-   carbazolyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph;-   triazinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃, and Ph;-   and N(Ph)₂.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula IIIb-1 andFormula IIIb-2:

wherein the aforementioned definitions apply.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula IIIc-1 andFormula IIIc-2:

wherein the aforementioned definitions apply.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula IIId-1 andFormula IIId-2:

wherein the aforementioned definitions apply.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula IV:

wherein the aforementioned definitions apply and wherein exactly onesubstituent selected from the group consisting of R^(T), R^(V) and R^(Z)is CF₃.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula IV-1 andFormula IV-2:

wherein the aforementioned definitions apply.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula IVa-1 andFormula IVa-2:

wherein the aforementioned definitions apply.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula IVb-1 andFormula IVb-2:

wherein the aforementioned definitions apply.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula IVc-1 andFormula IVc-2:

wherein the aforementioned definitions apply.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula IVd-1 andFormula IVd-2:

wherein the aforementioned definitions apply.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula V:

wherein the aforementioned definitions apply and wherein exactly onesubstituent selected from the group consisting of R^(T), R^(V), andR^(Z) is CF₃.

In a further embodiment of the invention, the organic molecules compriseor consist of a structure selected from the group of Formula V-1 andFormula V-2:

wherein the aforementioned definitions apply.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula VI:

wherein the aforementioned definitions apply and wherein exactly onesubstituent selected from the group consisting of R^(T), R^(V) and R^(Z)is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula VII:

wherein the aforementioned definitions apply and wherein exactly onesubstituent selected from the group consisting of R^(T), R^(V) and R^(Z)is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula VII and R^(V) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula VIII:

wherein the aforementioned definitions apply and wherein exactly onesubstituent selected from the group consisting of R^(T), R^(V) and R^(Z)is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula VIII and R^(V) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula IX:

wherein the aforementioned definitions apply and wherein exactly onesubstituent selected from the group consisting of R^(T), R^(V) and R^(Z)is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula IX and R^(V) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula X:

wherein the aforementioned definitions apply and wherein exactly onesubstituent selected from the group consisting of R^(T), R^(V) and R^(Z)is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula X and R^(V) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XI:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XI and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XII:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XII and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XIII:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XIII and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XIV:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XIV and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XV:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XV and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XVI:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XVI and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XVII:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XVII and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XVIII:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XVIII and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XIX:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V) and R^(T) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XIX and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XX:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V) and R^(T) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XX and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XXI:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V) and R^(T) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XXI and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XXII:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V) and R^(T) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XXII and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XXVIII:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V) and R^(T) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XXIII and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XXIV:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V) and R^(T) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XXIV and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XXV:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V) and R^(T) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XXV and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XXVI:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V) and R^(T) is CF₃.

In another embodiment of the invention, the organic molecules compriseor consist of a structure of Formula XXVI and R^(T) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XXVII:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XXVIII:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V), R^(T) and R^(Z) is CF₃.

In one embodiment of the invention, the organic molecules comprise orconsist of a structure of Formula XXIX:

wherein the aforementioned definitions apply,and wherein exactly one substituent selected from the group consistingof R^(V) and R^(T) is CF₃.

In one embodiment of the invention R^(c) is at each occurrenceindependently from another selected from the group consisting of:

-   Me,-   ^(i)Pr,-   ^(t)Bu,-   Ph, which is optionally substituted with one or more substituents    independently from each other selected from the group consisting of    Me, ^(i)Pr, ^(t)Bu, CN, CF₃ and Ph; and-   triazinyl, which is optionally substituted with one or more    substituents independently from each other selected from the group    consisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃ and Ph.

As used throughout the present application, the terms “aryl” and“aromatic” may be understood in the broadest sense as any mono-, bi- orpolycyclic aromatic moieties. Accordingly, an aryl group contains 6 to60 aromatic ring atoms, and a heteroaryl group contains 5 to 60 aromaticring atoms, of which at least one is a heteroatom. Notwithstanding,throughout the application the number of aromatic ring atoms may begiven as subscripted number in the definition of certain substituents.In particular, the heteroaromatic ring includes one to threeheteroatoms. Again, the terms “heteroaryl” and “heteroaromatic” may beunderstood in the broadest sense as any mono-, bi- or polycyclichetero-aromatic moieties that include at least one heteroatom. Theheteroatoms may at each occurrence be the same or different and beindividually selected from the group consisting of N, O and S.Accordingly, the term “arylene” refers to a divalent substituent thatbears two binding sites to other molecular structures and therebyserving as a linker structure. In case, a group in the exemplaryembodiments is defined differently from the definitions given here, forexample, the number of aromatic ring atoms or number of heteroatomsdiffers from the given definition, the definition in the exemplaryembodiments is to be applied. According to the invention, a condensed(annulated) aromatic or heteroaromatic polycycle is built of two or moresingle aromatic or heteroaromatic cycles, which formed the polycycle viaa condensation reaction.

In particular, as used throughout the present application the term arylgroup or heteroaryl group comprises groups which can be bound via anyposition of the aromatic or heteroaromatic group, derived from benzene,naphthaline, anthracene, phenanthrene, pyrene, dihydropyrene, chrysene,perylene, fluoranthene, benzanthracene, benzphenanthrene, tetracene,pentacene, benzpyrene, furan, benzofuran, isobenzofuran, dibenzofuran,thiophene, benzothiophene, isobenzothiophene, dibenzothiophene; pyrrole,indole, isoindole, carbazole, pyridine, quinoline, isoquinoline,acridine, phenanthridine, benzo-5,6-quinoline, benzo-6,7-quinoline,benzo-7,8-quinoline, phenothiazine, phenoxazine, pyrazole, indazole,imidazole, benzimidazole, naphthoimidazole, phenanthroimidazole,pyridoimidazole, pyrazinoimidazole, quinoxalinoimidazole, oxazole,benzoxazole, napthooxazole, anthroxazol, phenanthroxazol, isoxazole,1,2-thiazole, 1,3-thiazole, benzothiazole, pyridazine, benzopyridazine,pyrimidine, benzopyrimidine, 1,3,5-triazine, quinoxaline, pyrazine,phenazine, naphthyridine, carboline, benzocarboline, phenanthroline,1,2,3-triazole, 1,2,4-triazole, benzotriazole, 1,2,3-oxadiazole,1,2,4-oxadiazole, 1,2,5-oxadiazole, 1,2,3,4-tetrazine, purine,pteridine, indolizine and benzothiadiazole or combinations of theabovementioned groups.

As used throughout the present application the term cyclic group may beunderstood in the broadest sense as any mono-, bi- or polycyclicmoieties.

As used throughout the present application the term biphenyl as asubstituent may be understood in the broadest sense as ortho-biphenyl,meta-biphenyl, or para-biphenyl, wherein ortho, meta and para is definedin regard to the binding site to another chemical moiety.

As used throughout the present application the term alkyl group may beunderstood in the broadest sense as any linear, branched, or cyclicalkyl substituent. In particular, the term alkyl comprises thesubstituents methyl (Me), ethyl (Et), n-propyl (^(n)Pr), i-propyl(^(i)Pr), cyclopropyl, n-butyl (^(n)Bu), i-butyl (^(i)Bu), s-butyl(^(s)Bu), t-butyl (^(t)Bu), cyclobutyl, 2-methylbutyl, n-pentyl,s-pentyl, t-pentyl, 2-pentyl, neo-pentyl, cyclopentyl, n-hexyl, s-hexyl,t-hexyl, 2-hexyl, 3-hexyl, neo-hexyl, cyclohexyl, 1-methylcyclopentyl,2-methylpentyl, n-heptyl, 2-heptyl, 3-heptyl, 4-heptyl, cycloheptyl,1-methylcyclohexyl, n-octyl, 2-ethylhexyl, cyclooctyl,1-bicyclo[2,2,2]octyl, 2-bicyclo[2,2,2]-octyl, 2-(2,6-dimethyl)octyl,3-(3,7-dimethyl)octyl, adamantyl, 2,2,2-trifluorethyl,1,1-dimethyl-n-hex-1-yl, 1,1-dimethyl-n-hept-1-yl,1,1-dimethyl-n-oct-1-yl, 1,1-dimethyl-n-dec-1-yl,1,1-dimethyl-n-dodec-1-yl, 1,1-dimethyl-n-tetradec-1-yl,1,1-dimethyl-n-hexadec-1-yl, 1,1-dimethyl-n-octadec-1-yl,1,1-diethyl-n-hex-1-yl, 1,1-diethyl-n-hept-1-yl, 1,1-diethyl-n-oct-1-yl,1,1-diethyl-n-dec-1-yl, 1,1-diethyl-n-dodec-1-yl,1,1-diethyl-n-tetradec-1-yl, 1,1-diethyl n-n-hexadec-1-yl,1,1-diethyl-n-octadec-1-yl, 1-(n-propyl)-cyclohex-1-yl,1-(n-butyl)-cyclohex-1-yl, 1-(n-hexyl)-cyclohex-1-yl,1-(n-octyl)-cyclohex-1-yl and 1-(n-decyl)-cyclohex-1-yl.

As used throughout the present application the term alkenyl compriseslinear, branched, and cyclic alkenyl substituents. The term alkenylgroup exemplarily comprises the substituents ethenyl, propenyl, butenyl,pentenyl, cyclopentenyl, hexenyl, cyclohexenyl, heptenyl, cycloheptenyl,octenyl, cyclooctenyl or cyclooctadienyl.

As used throughout the present application the term alkynyl compriseslinear, branched, and cyclic alkynyl substituents. The term alkynylgroup exemplarily comprises ethynyl, propynyl, butynyl, pentynyl,hexynyl, heptynyl or octynyl.

As used throughout the present application the term alkoxy compriseslinear, branched, and cyclic alkoxy substituents. The term alkoxy groupexemplarily comprises methoxy, ethoxy, n-propoxy, i-propoxy, n-butoxy,i-butoxy, s-butoxy, t-butoxy and 2-methylbutoxy.

As used throughout the present application the term thioalkoxy compriseslinear, branched, and cyclic thioalkoxy substituents, in which the O ofthe exemplarily alkoxy groups is replaced by S.

As used throughout the present application, the terms “halogen” and“halo” may be understood in the broadest sense as being preferablyfluorine, chlorine, bromine or iodine.

Whenever hydrogen (H) is mentioned herein, it could also be replaced bydeuterium at each occurrence.

It is understood that when a molecular fragment is described as being asubstituent or otherwise attached to another moiety, its name may bewritten as if it were a fragment (e.g. naphtyl, dibenzofuryl) or as ifit were the whole molecule (e.g. naphthalene, dibenzofuran).

As used herein, these different ways of designating a substituent orattached fragment are considered to be equivalent.

In one embodiment, the organic molecules according to the invention havean excited state lifetime of not more than 150 μs, of not more than 100μs, in particular of not more than 50 μs, more preferably of not morethan 10 μs or not more than 7 μs in a film of poly(methyl methacrylate)(PMMA) with 10% by weight of organic molecule at room temperature.

In one embodiment of the invention, the organic molecules according tothe invention represent thermally-activated delayed fluorescence (TADF)emitters, which exhibit a ΔE_(ST) value, which corresponds to the energydifference between the first excited singlet state (S1) and the firstexcited triplet state (T1), of less than 5000 cm⁻¹, preferably less than3000 cm⁻¹, more preferably less than 1500 cm⁻¹, even more preferablyless than 1000 cm⁻¹ or even less than 500 cm⁻¹.

In a further embodiment of the invention, the organic moleculesaccording to the invention have an emission peak in the visible ornearest ultraviolet range, i.e., in the range of a wavelength of from380 to 800 nm, with a full width at half maximum of less than 0.50 eV,preferably less than 0.48 eV, more preferably less than 0.45 eV, evenmore preferably less than 0.43 eV or even less than 0.40 eV in a film ofpoly(methyl methacrylate) (PMMA) with 10% by weight of organic moleculeat room temperature.

In a further embodiment of the invention, the organic moleculesaccording to the invention have a “blue material index” (BMI),calculated by dividing the photoluminescence quantum yield (PLQY) in %by the CIEy color coordinate of the emitted light, of more than 150, inparticular more than 200, preferably more than 250, more preferably ofmore than 300 or even more than 500.

Orbital and excited state energies can be determined either by means ofexperimental methods or by calculations employing quantum-chemicalmethods, in particular density functional theory calculations. Theenergy of the highest occupied molecular orbital E^(HOMO) is determinedby methods known to the person skilled in the art from cyclicvoltammetry measurements with an accuracy of 0.1 eV. The energy of thelowest unoccupied molecular orbital E^(LUMO) is calculated asE^(HOMO)+E^(gap), wherein E^(gap) is determined as follows: For hostcompounds, the onset of the emission spectrum of a film with 10% byweight of host in poly(methyl methacrylate) (PMMA) is used as E^(gap),unless stated otherwise. For emitter molecules, E^(gap) is determined asthe energy at which the excitation and emission spectra of a film with10% by weight of emitter in PMMA cross.

The energy of the first excited triplet state T1 is determined from theonset of the emission spectrum at low temperature, typically at 77 K.For host compounds, where the first excited singlet state and the lowesttriplet state are energetically separated by >0.4 eV, thephosphorescence is usually visible in a steady-state spectrum in2-Me-THF. The triplet energy can thus be determined as the onset of thephosphorescence spectrum. For TADF emitter molecules, the energy of thefirst excited triplet state T1 is determined from the onset of thedelayed emission spectrum at 77 K, if not otherwise stated measured in afilm of PMMA with 10% by weight of emitter. Both for host and emittercompounds, the energy of the first excited singlet state S1 isdetermined from the onset of the emission spectrum, if not otherwisestated measured in a film of PMMA with 10% by weight of host or emittercompound.

The onset of an emission spectrum is determined by computing theintersection of the tangent to the emission spectrum with the x-axis.The tangent to the emission spectrum is set at the high-energy side ofthe emission band and at the point at half maximum of the maximumintensity of the emission spectrum.

A further aspect of the invention relates to a process for synthesizingorganic molecules (with an optional subsequent reaction) of theinvention, wherein a fluorobenzotrifluorideboronic acid pinacol ester,which is substituted with three R¹, is used as a reactant:

According to the invention, in the reaction for the synthesis of E0-1 aboronic acid or an equivalent boronic acid ester can be used instead ofa boronic pinacol ester. For example, boronic acid esters or boronicacids are 2-chloro-6-trifluoromethyphenylboronic ester or acid,2-chloro-5-trifluoromethyphenylboronic ester or acid,2-chloro-4-trifluoromethyphenylboronic ester or acid,3-chloro-6-trifluoromethyphenylboronic ester or acid,3-chloro-5-trifluoromethyphenylboronic ester or acid,3-chloro-4-trifluoromethyphenylboronic ester or acid,4-chloro-6-trifluoromethyphenylboronic ester or acid and4-chloro-5-trifluoromethyphenylboronic ester or acid.

Alternatively, the organic molecules (with an optional subsequentreaction) according to the invention, can be synthesized via thefollowing route:

According to the invention, in the reaction for the synthesis of E0-2 aboronic acid or an equivalent boronic acid ester can be used instead ofa boronic pinacol ester. Exemplary boronic acid esters or boronic acidsare 2-chloro-6-fluorophenylboronic ester or acid,2-chloro-5-fluorophenylboronic ester or acid,2-chloro-4-fluorophenylboronic ester or acid,3-chloro-6-fluorophenylboronic ester or acid,3-chloro-5-fluorophenylboronic ester or acid,3-chloro-4-fluorophenylboronic ester or acid,4-chloro-6-fluorophenylboronic ester or acid and4-chloro-5-fluorophenylboronic ester or acid.

Typically, Pd₂(dba)₃ (tris(dibenzylideneacetone)dipalladium(0)) is usedas a Pd catalyst, but alternatives are known in the art. For example,the ligand may be selected from the group consisting of S-Phos([2-dicyclohexylphoshino-2′,6′-dimethoxy-1,1′-biphenyl]), X-Phos(2-(dicyclohexylphosphino)-2″,4″,6″-triisopropylbiphenyl), and P(Cy)₃(tricyclohexylphosphine). The salt is, for example, selected fromtribasic potassium phosphate and potassium acetate and the solvent canbe a pure solvent, such as toluene or dioxane, or a mixture, such astoluene/dioxane/water or dioxane/toluene. A person of skill in the artcan determine which Pd catalyst, ligand, salt and solvent combinationwill result in high reaction yields.

For the reaction of a nitrogen heterocycle in a nucleophilic aromaticsubstitution with an aryl halide, preferably an aryl fluoride, typicalconditions include the use of a base, such as tribasic potassiumphosphate or sodium hydride, for example, in an aprotic polar solvent,such as dimethyl sulfoxide (DMSO) or N,N-dimethylformamide (DMF), forexample.

An alternative synthesis route comprises the introduction of a nitrogenheterocycle via copper- or palladium-catalyzed coupling to an arylhalide or aryl pseudohalide, preferably an aryl bromide, an aryl iodide,aryl triflate or an aryl tosylate.

A further aspect of the invention relates to the use of an organicmolecule according to the invention as a luminescent emitter or as anabsorber, and/or as host material and/or as electron transport material,and/or as hole injection material, and/or as hole blocking material inan optoelectronic device.

The optoelectronic device may be understood in the broadest sense as anydevice based on organic materials that is suitable for emitting light inthe visible or nearest ultraviolet (UV) range, i.e., in the range of awavelength of from 380 to 800 nm. More preferably, the optoelectronicdevice may be able to emit light in the visible range, i.e., of from 400to 800 nm.

In the context of such use, the optoelectronic device is moreparticularly selected from the group consisting of:

-   -   organic light-emitting diodes (OLEDs),    -   light-emitting electrochemical cells,    -   OLED sensors, especially in gas and vapor sensors not        hermetically externally shielded,    -   organic diodes,    -   organic solar cells,    -   organic transistors,    -   organic field-effect transistors,    -   organic lasers, and    -   down-conversion elements.

In a preferred embodiment in the context of such use, the optoelectronicdevice is a device selected from the group consisting of an organiclight emitting diode (OLED), a light emitting electrochemical cell(LEC), and a light-emitting transistor.

In the case of the use, the fraction of the organic molecule accordingto the invention in the emission layer in an optoelectronic device, moreparticularly in OLEDs, is 1% to 99% by weight, more particularly 5% to80% by weight. In an alternative embodiment, the proportion of theorganic molecule in the emission layer is 100% by weight.

In one embodiment, the light-emitting layer comprises not only theorganic molecules according to the invention but also a host materialwhose triplet (T1) and singlet (S1) energy levels are energeticallyhigher than the triplet (T1) and singlet (S1) energy levels of theorganic molecule.

A further aspect of the invention relates to a composition comprising orconsisting of:

-   (a) at least one organic molecule according to the invention, in    particular in the form of an emitter and/or a host, and-   (b) one or more emitter and/or host materials, which differ from the    organic molecule according to the invention and-   (c) optional one or more dyes and/or one or more solvents.

In one embodiment, the light-emitting layer comprises (or (essentially)consists of) a composition comprising or consisting of:

-   (a) at least one organic molecule according to the invention, in    particular in the form of an emitter and/or a host, and-   (b) one or more emitter and/or host materials, which differ from the    organic molecule according to the invention and-   (c) optional one or more dyes and/or one or more solvents.

Particularly preferably the light-emitting layer EML comprises (or(essentially) consists of) a composition comprising or consisting of:

-   (i) 1-50% by weight, preferably 5-40% by weight, in particular    10-30% by weight, of one or more organic molecules according to the    invention E;-   (ii) 5-99% by weight, preferably 30-94.9% by weight, in particular    40-89% by weight, of at least one host compound H; and-   (iii) optionally 0-94% by weight, preferably 0.1-65% by weight, in    particular 1-50% by weight, of at least one further host compound D    with a structure differing from the structure of the molecules    according to the invention; and-   (iv) optionally 0-94% by weight, preferably 0-65% by weight, in    particular 0-50% by weight, of a solvent; and-   (v) optionally 0-30% by weight, in particular 0-20% by weight,    preferably 0-5% by weight, of at least one further emitter molecule    F with a structure differing from the structure of the molecules    according to the invention.

Preferably, energy can be transferred from the host compound H to theone or more organic molecules according to the invention E, inparticular transferred from the first excited triplet state T1(H) of thehost compound H to the first excited triplet state T1(E) of the one ormore organic molecules according to the invention E and/or from thefirst excited singlet state S1(H) of the host compound H to the firstexcited singlet state S1(E) of the one or more organic moleculesaccording to the invention E.

In a further embodiment, the light-emitting layer EML comprises (or(essentially) consists of) a composition comprising or consisting of:

-   (i) 1-50% by weight, preferably 5-40% by weight, in particular    10-30% by weight, of one organic molecule according to the invention    E;-   (ii) 5-99% by weight, preferably 30-94.9% by weight, in particular    40-89% by weight, of one host compound H; and-   (iii) optionally, 0-94% by weight, preferably 0.1-65% by weight, in    particular 1-50% by weight, of at least one further host compound D    with a structure differing from the structure of the molecules    according to the invention; and-   (iv) optionally, 0-94% by weight, preferably 0-65% by weight, in    particular 0-50% by weight, of a solvent; and-   (v) optionally, 0-30% by weight, in particular 0-20% by weight,    preferably 0-5% by weight, of at least one further emitter molecule    F with a structure differing from the structure of the molecules    according to the invention.

In one embodiment, the host compound H has a highest occupied molecularorbital HOMO(H) having an energy E^(HOMO)(H) in the range of from −5 to−6.5 eV and the at least one further host compound D has a highestoccupied molecular orbital HOMO(D) having an energy E^(HOMO)(D), whereinE^(HOMO)(H)>E^(Homo)(D).

In a further embodiment, the host compound H has a lowest unoccupiedmolecular orbital LUMO(H) having an energy E^(LUMO)(H) and the at leastone further host compound D has a lowest unoccupied molecular orbitalLUMO(D) having an energy E^(LUMO)(D), wherein E^(LUMO)(H)>E^(LUMO)(D).

In one embodiment, the host compound H has a highest occupied molecularorbital HOMO(H) having an energy E^(HOMO)(H) and a lowest unoccupiedmolecular orbital LUMO(H) having an energy E^(LUMO)(H), and

the at least one further host compound D has a highest occupiedmolecular orbital HOMO(D) having an energy E^(HOMO)(D) and a lowestunoccupied molecular orbital LUMO(D) having an energy E^(LUMO)(D),

the organic molecule according to the invention E has a highest occupiedmolecular orbital HOMO(E) having an energy E^(HOMO)(E) and a lowestunoccupied molecular orbital LUMO(E) having an energy E^(LUMO)(E),

whereinE^(HOMO)(H)>E^(HOMO)(D) and the difference between the energy level ofthe highest occupied molecular orbital HOMO(E) of the organic moleculeaccording to the invention E (E^(HOMO)(E)) and the energy level of thehighest occupied molecular orbital HOMO(H) of the host compound H(E^(HOMO)(H)) is between −0.5 eV and 0.5 eV, more preferably between−0.3 eV and 0.3 eV, even more preferably between −0.2 eV and 0.2 eV oreven between −0.1 eV and 0.1 eV; andE^(LUMO)(H)>E^(HOMO) (D) and the difference between the energy level ofthe lowest unoccupied molecular orbital LUMO(E) of the organic moleculeaccording to the invention E (E^(HOMO)(E)) and the lowest unoccupiedmolecular orbital LUMO(D) of the at least one further host compound D(E^(HOMO)(D)) is between −0.5 eV and 0.5 eV, more preferably between−0.3 eV and 0.3 eV, even more preferably between −0.2 eV and 0.2 eV oreven between −0.1 eV and 0.1 eV.

In a further aspect, the invention relates to an optoelectronic devicecomprising an organic molecule or a composition of the type describedhere, more particularly in the form of a device selected from the groupconsisting of organic light-emitting diode (OLED), light-emittingelectrochemical cell, OLED sensor, more particularly gas and vapoursensors not hermetically externally shielded, organic diode, organicsolar cell, organic transistor, organic field-effect transistor, organiclaser and down-conversion element.

In a preferred embodiment, the optoelectronic device is a deviceselected from the group consisting of an organic light emitting diode(OLED), a light emitting electrochemical cell (LEC), and alight-emitting transistor.

In one embodiment of the optoelectronic device of the invention, theorganic molecule according to the invention E is used as emissionmaterial in a light-emitting layer EML.

In one embodiment of the optoelectronic device of the invention thelight-emitting layer EML consists of the composition according to theinvention described here.

For example, when the optoelectronic device is an OLED, it may exhibitthe following layer structure:

1. substrate2. anode layer A3. hole injection layer, HIL4. hole transport layer, HTL5. electron blocking layer, EBL6. emitting layer, EML7. hole blocking layer, HBL8. electron transport layer, ETL9. electron injection layer, EIL10. cathode layer,wherein the OLED comprises each layer only optionally, different layersmay be merged and the OLED may comprise more than one layer of eachlayer type defined above.

Furthermore, the optoelectronic device may optionally comprise one ormore protective layers protecting the device from damaging exposure toharmful species in the environment including, exemplarily moisture,vapor and/or gases.

In one embodiment of the invention, the optoelectronic device is anOLED, which exhibits the following inverted layer structure:

1. substrate2. cathode layer3. electron injection layer, EIL4. electron transport layer, ETL5. hole blocking layer, HBL6. emitting layer, B7. electron blocking layer, EBL8. hole transport layer, HTL9. hole injection layer, HIL10. anode layer A

Wherein the OLED with an inverted layer structure comprises each layeronly optionally, different layers may be merged and the OLED maycomprise more than one layer of each layer types defined above.

In one embodiment of the invention, the optoelectronic device is anOLED, which may exhibit stacked architecture. In this architecture,contrary to the typical arrangement, where the OLEDs are placed side byside, the individual units are stacked on top of each other. Blendedlight may be generated with OLEDs exhibiting a stacked architecture, inparticular white light may be generated by stacking blue, green and redOLEDs. Furthermore, the OLED exhibiting a stacked architecture mayoptionally comprise a charge generation layer (CGL), which is typicallylocated between two OLED subunits and typically consists of a n-dopedand p-doped layer with the n-doped layer of one CGL being typicallylocated closer to the anode layer.

In one embodiment of the invention, the optoelectronic device is anOLED, which comprises two or more emission layers between anode andcathode. In particular, this so-called tandem OLED comprises threeemission layers, wherein one emission layer emits red light, oneemission layer emits green light and one emission layer emits bluelight, and optionally may comprise further layers such as chargegeneration layers, blocking or transporting layers between theindividual emission layers. In a further embodiment, the emission layersare adjacently stacked. In a further embodiment, the tandem OLEDcomprises a charge generation layer between each two emission layers. Inaddition, adjacent emission layers or emission layers separated by acharge generation layer may be merged.

The substrate may be formed by any material or composition of materials.Most frequently, glass slides are used as substrates. Alternatively,thin metal layers (e.g., copper, gold, silver or aluminum films) orplastic films or slides may be used. This may allow a higher degree offlexibility. The anode layer A is mostly composed of materials allowingto obtain an (essentially) transparent film. As at least one of bothelectrodes should be (essentially) transparent in order to allow lightemission from the OLED, either the anode layer A or the cathode layer Cis transparent. Preferably, the anode layer A comprises a large contentor even consists of transparent conductive oxides (TCOs). Such anodelayer A may exemplarily comprise indium tin oxide, aluminum zinc oxide,fluorine doped tin oxide, indium zinc oxide, PbO, SnO, zirconium oxide,molybdenum oxide, vanadium oxide, wolfram oxide, graphite, doped Si,doped Ge, doped GaAs, doped polyaniline, doped polypyrrol and/or dopedpolythiophene.

In a particular embodiment, the anode layer A (essentially) consists ofindium tin oxide (ITO) (e.g., (InO₃)0.9(SnO₂)0.1). The roughness of theanode layer A caused by the transparent conductive oxides (TCOs) may becompensated by using a hole injection layer (HIL). Further, the HIL mayfacilitate the injection of quasi charge carriers (i.e., holes) in thatthe transport of the quasi charge carriers from the TCO to the holetransport layer (HTL) is facilitated. The hole injection layer (HIL) maycomprise poly-3,4-ethylendioxy thiophene (PEDOT), polystyrene sulfonate(PSS), MoO₂, V₂O₅, CuPC or CuI, in particular a mixture of PEDOT andPSS. The hole injection layer (HIL) may also prevent the diffusion ofmetals from the anode layer A into the hole transport layer (HTL). TheHIL may exemplarily comprise PEDOT:PSS (poly-3,4-ethylendioxy thiophene:polystyrene sulfonate), PEDOT (poly-3,4-ethylendioxy thiophene), mMTDATA(4,4′,4″-tris[phenyl(m-tolyl)amino]triphenylamine), Spiro-TAD(2,2′,7,7′-tetrakis(n,n-diphenylamino)-9,9′-spirobifluorene), DNTPD(N1,N1′-(biphenyl-4,4′-diyl)bis(N1-phenyl-N4,N4-di-m-tolylbenzene-1,4-diamine),NPB(N,N′-nis-(1-naphthalenyl)-N,N′-bis-phenyl-(1,1′-biphenyl)-4,4′-diamine),NPNPB (N,N′-diphenyl-N,N′-di-[4-(N,N-diphenyl-amino)phenyl]benzidine),MeO-TPD (N,N,N′,N′-tetrakis(4-methoxyphenyl)benzidine), HAT-CN(1,4,5,8,9,11-hexaazatriphenylen-hexacarbonitrile) and/or Spiro-NPD(N,N′-diphenyl-N,N′-bis-(1-naphthyl)-9,9′-spirobifluorene-2,7-diamine).

Adjacent to the anode layer A or hole injection layer (HIL) typically ahole transport layer (HTL) is located. Herein, any hole transportcompound may be used. Exemplarily, electron-rich heteroaromaticcompounds such as triarylamines and/or carbazoles may be used as holetransport compound. The HTL may decrease the energy barrier between theanode layer A and the light-emitting layer EML. The hole transport layer(HTL) may also be an electron blocking layer (EBL). Preferably, holetransport compounds bear comparably high energy levels of their tripletstates T1. Exemplarily the hole transport layer (HTL) may comprise astar-shaped heterocycle such as tris(4-carbazoyl-9-ylphenyl)amine(TCTA), poly-TPD (poly(4-butylphenyl-diphenyl-amine)), [alpha]-NPD(poly(4-butylphenyl-diphenyl-amine)), TAPC(4,4′-cyclohexyliden-bis[N,N-bis(4-methylphenyl)benzenamine]), 2-TNATA(4,4′,4″-tris[2-naphthyl(phenyl)amino]triphenylamine), Spiro-TAD, DNTPD,NPB, NPNPB, MeO-TPD, HAT-CN and/or TrisPcz(9,9′-diphenyl-6-(9-phenyl-9H-carbazol-3-yl)-9H,9′H-3,3′-bicarbazole).In addition, the HTL may comprise a p-doped layer, which may be composedof an inorganic or organic dopant in an organic hole-transportingmatrix. Transition metal oxides such as vanadium oxide, molybdenum oxideor tungsten oxide may exemplarily be used as inorganic dopant.Tetrafluorotetracyanoquinodimethane (F₄-TCNQ),copper-pentafluorobenzoate (Cu(I)pFBz) or transition metal complexes mayexemplarily be used as organic dopant.

The EBL may exemplarily comprise mCP (1,3-bis(carbazol-9-yl)benzene),TCTA, 2-TNATA, mCBP (3,3-di(9H-carbazol-9-yl)biphenyl), tris-Pcz, CzSi(9-(4-tert-Butylphenyl)-3,6-bis(triphenylsilyl)-9H-carbazole), and/orDCB (N,N′-dicarbazolyl-1,4-dimethylbenzene).

Adjacent to the hole transport layer (HTL), typically, thelight-emitting layer EML is located. The light-emitting layer EMLcomprises at least one light emitting molecule. Particularly, the EMLcomprises at least one light emitting molecule according to theinvention E. In one embodiment, the light-emitting layer comprises onlythe organic molecules according to the invention E. Typically, the EMLadditionally comprises one or more host materials H. Exemplarily, thehost material H is selected from CBP (4,4′-Bis-(N-carbazolyl)-biphenyl),mCP, mCBP Sif87 (dibenzo[b,d]thiophen-2-yltriphenylsilane), CzSi, SiMCP(3,5-Di(9H-carbazol-9-yl)phenyl]triphenylsilane), Sif88(dibenzo[b,d]thiophen-2-yl)diphenylsilane), DPEPO(bis[2-(diphenylphosphino)phenyl] ether oxide),9-[3-(dibenzofuran-2-yl)phenyl]-9H-carbazole,9-[3-(dibenzofuran-2-yl)phenyl]-9H-carbazole,9-[3-(dibenzothiophen-2-yl)phenyl]-9H-carbazole,9-[3,5-bis(2-dibenzofuranyl)phenyl]-9H-carbazole,9-[3,5-bis(2-dibenzothiophenyl)phenyl]-9H-carbazole, T2T(2,4,6-tris(biphenyl-3-yl)-1,3,5-triazine), T3T(2,4,6-tris(triphenyl-3-yl)-1,3,5-triazine) and/or TST(2,4,6-tris(9,9′-spirobifluorene-2-yl)-1,3,5-triazine). The hostmaterial H typically should be selected to exhibit first triplet (T1)and first singlet (S1) energy levels, which are energetically higherthan the first triplet (T1) and first singlet (S1) energy levels of theorganic molecule.

In one embodiment of the invention, the EML comprises a so-calledmixed-host system with at least one hole-dominant host and oneelectron-dominant host. In a particular embodiment, the EML comprisesexactly one light emitting molecule according to the invention E and amixed-host system comprising T2T as electron-dominant host and a hostselected from CBP, mCP, mCBP,9-[3-(dibenzofuran-2-yl)phenyl]-9H-carbazole,9-[3-(dibenzofuran-2-yl)phenyl]-9H-carbazole,9-[3-(dibenzothiophen-2-yl)phenyl]-9H-carbazole,9-[3,5-bis(2-dibenzofuranyl)phenyl]-9H-carbazole and9-[3,5-bis(2-dibenzothiophenyl)phenyl]-9H-carbazole as hole-dominanthost. In a further embodiment the EML comprises 50-80% by weight,preferably 60-75% by weight of a host selected from CBP, mCP, mCBP,9-[3-(dibenzofuran-2-yl)phenyl]-9H-carbazole,9-[3-(dibenzofuran-2-yl)phenyl]-9H-carbazole,9-[3-(dibenzothiophen-2-yl)phenyl]-9H-carbazole,9-[3,5-bis(2-dibenzofuranyl)phenyl]-9H-carbazole and9-[3,5-bis(2-dibenzothiophenyl)phenyl]-9H-carbazole; 10-45% by weight,preferably 15-30% by weight of T2T and 5-40% by weight, preferably10-30% by weight of light emitting molecule according to the invention.

Adjacent to the light-emitting layer EML an electron transport layer(ETL) may be located. Herein, any electron transporter may be used.Exemplarily, electron-poor compounds such as, e.g., benzimidazoles,pyridines, triazoles, oxadiazoles (e.g., 1,3,4-oxadiazole),phosphinoxides and sulfone, may be used. An electron transporter mayalso be a star-shaped heterocycle such as1,3,5-tri(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl (TPBi). The ETL maycomprise NBphen(2,9-bis(naphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline), Alq₃(Aluminum-tris(8-hydroxyquinoline)), TSPO1(diphenyl-4-triphenylsilylphenyl-phosphinoxide), BPyTP2(2,7-di(2,2′-bipyridin-5-yl)triphenyle), Sif87(dibenzo[b,d]thiophen-2-yltriphenylsilane), Sif88(dibenzo[b,d]thiophen-2-yl)diphenylsilane), BmPyPhB(1,3-bis[3,5-di(pyridin-3-yl)phenyl]benzene) and/or BTB(4,4′-bis-[2-(4,6-diphenyl-1,3,5-triazinyl)]-1,1′-biphenyl). Optionally,the ETL may be doped with materials such as Liq. The electron transportlayer (ETL) may also block holes or a holeblocking layer (HBL) isintroduced. The HBL may, for example, comprise BCP(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline=Bathocuproine), BAlq(bis(8-hydroxy-2-methylquinoline)-(4-phenylphenoxy)aluminum), NBphen(2,9-bis(naphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline), Alq₃(Aluminum-tris(8-hydroxyquinoline)), TSPO1(diphenyl-4-triphenylsilylphenyl-phosphinoxide), T2T(2,4,6-tris(biphenyl-3-yl)-1,3,5-triazine), T3T(2,4,6-tris(triphenyl-3-yl)-1,3,5-triazine), TST(2,4,6-tris(9,9′-spirobifluorene-2-yl)-1,3,5-triazine), and/or TCB/TCP(1,3,5-tris(N-carbazolyl)benzol/1,3,5-tris(carbazol)-9-yl) benzene).

Adjacent to the electron transport layer (ETL), a cathode layer C may belocated. Exemplarily, the cathode layer C may comprise or may consist ofa metal (e.g., Al, Au, Ag, Pt, Cu, Zn, Ni, Fe, Pb, LiF, Ca, Ba, Mg, In,W, or Pd) or a metal alloy. For practical reasons, the cathode layer mayalso consist of (essentially) non-transparent metals such as Mg, Ca orAl. Alternatively or additionally, the cathode layer C may also comprisegraphite and or carbon nanotubes (CNTs). Alternatively, the cathodelayer C may also consist of nanoscalic silver wires.

An OLED may further, optionally, comprise a protection layer between theelectron transport layer (ETL) and the cathode layer C (which may bedesignated as electron injection layer (EIL)). This layer may compriselithium fluoride, cesium fluoride, silver, Liq(8-hydroxyquinolinolatolithium), Li₂O, BaF₂, MgO and/or NaF.

Optionally, also the electron transport layer (ETL) and/or a holeblocking layer (HBL) may comprise one or more host compounds H.

In order to modify the emission spectrum and/or the absorption spectrumof the light-emitting layer EML further, the light-emitting layer EMLmay further comprise one or more further emitter molecules F. Such anemitter molecule F may be any emitter molecule known in the art.Preferably such an emitter molecule F is a molecule with a structurediffering from the structure of the molecules according to the inventionE. The emitter molecule F may optionally be a TADF emitter.Alternatively, the emitter molecule F may optionally be a fluorescentand/or phosphorescent emitter molecule which is able to shift theemission spectrum and/or the absorption spectrum of the light-emittinglayer EML. Exemplarily, the triplet and/or singlet excitons may betransferred from the emitter molecule according to the invention E tothe emitter molecule F before relaxing to the ground state S0 byemitting light typically red-shifted in comparison to the light emittedby emitter molecule E. Optionally, the emitter molecule F may alsoprovoke two-photon effects (i.e., the absorption of two photons of halfthe energy of the absorption maximum).

Optionally, an optoelectronic device (e.g., an OLED) may exemplarily bean essentially white optoelectronic device. For example, such a whiteoptoelectronic device may comprise at least one (deep) blue emittermolecule and one or more emitter molecules emitting green and/or redlight. Then, there may also optionally be energy transmittance betweentwo or more molecules as described above.

As used herein, if not defined more specifically in the particularcontext, the designation of the colors of emitted and/or absorbed lightis as follows:

violet: wavelength range of >380-420 nm;deep blue: wavelength range of >420-480 nm;sky blue: wavelength range of >480-500 nm;green: wavelength range of >500-560 nm;yellow: wavelength range of >560-580 nm;orange: wavelength range of >580-620 nm;red: wavelength range of >620-800 nm.

With respect to emitter molecules, such colors refer to the emissionmaximum. Therefore, exemplarily, a deep blue emitter has an emissionmaximum in the range of from >420 to 480 nm, a sky blue emitter has anemission maximum in the range of from >480 to 500 nm, a green emitterhas an emission maximum in a range of from >500 to 560 nm, a red emitterhas an emission maximum in a range of from >620 to 800 nm.

A deep blue emitter may preferably have an emission maximum of below 480nm, more preferably below 470 nm, even more preferably below 465 nm oreven below 460 nm. It will typically be above 420 nm, preferably above430 nm, more preferably above 440 nm or even above 450 nm.

Accordingly, a further aspect of the present invention relates to anOLED, which exhibits an external quantum efficiency at 1000 cd/m² ofmore than 8%, more preferably of more than 10%, more preferably of morethan 13%, even more preferably of more than 15% or even more than 20%and/or exhibits an emission maximum between 420 nm and 500 nm,preferably between 430 nm and 490 nm, more preferably between 440 nm and480 nm, even more preferably between 450 nm and 470 nm and/or exhibits aLT80 value at 500 cd/m² of more than 100 h, preferably more than 200 h,more preferably more than 400 h, even more preferably more than 750 h oreven more than 1000 h. Accordingly, a further aspect of the presentinvention relates to an OLED, whose emission exhibits a CIEy colorcoordinate of less than 0.45, preferably less than 0.30, more preferablyless than 0.20 or even more preferably less than 0.15 or even less than0.10.

A further aspect of the present invention relates to an OLED, whichemits light at a distinct color point. According to the presentinvention, the OLED emits light with a narrow emission band (small fullwidth at half maximum (FWHM)). In one aspect, the OLED according to theinvention emits light with a FWHM of the main emission peak of less than0.50 eV, preferably less than 0.48 eV, more preferably less than 0.45eV, even more preferably less than 0.43 eV or even less than 0.40 eV.

A further aspect of the present invention relates to an OLED, whichemits light with CIEx and CIEy color coordinates close to the CIEx(=0.131) and CIEy (=0.046) color coordinates of the primary color blue(CIEx=0.131 and CIEy=0.046) as defined by ITU-R Recommendation BT.2020(Rec. 2020) and thus is suited for the use in Ultra High Definition(UHD) displays, e.g. UHD-TVs. Accordingly, a further aspect of thepresent invention relates to an OLED, whose emission exhibits a CIExcolor coordinate of between 0.02 and 0.30, preferably between 0.03 and0.25, more preferably between 0.05 and 0.20 or even more preferablybetween 0.08 and 0.18 or even between 0.10 and 0.15 and/or a a CIEycolor coordinate of between 0.00 and 0.45, preferably between 0.01 and0.30, more preferably between 0.02 and 0.20 or even more preferablybetween 0.03 and 0.15 or even between 0.04 and 0.10.

In a further aspect, the invention relates to a method for producing anoptoelectronic component. In this case an organic molecule of theinvention is used.

The optoelectronic device, in particular the OLED according to thepresent invention can be manufactured by any means of vapor depositionand/or liquid processing. Accordingly, at least one layer is

-   -   prepared by means of a sublimation process,    -   prepared by means of an organic vapor phase deposition process,    -   prepared by means of a carrier gas sublimation process,    -   solution processed or    -   printed.

The methods used to manufacture the optoelectronic device, in particularthe OLED according to the present invention are known in the art. Thedifferent layers are individually and successively deposited on asuitable substrate by means of subsequent deposition processes. Theindividual layers may be deposited using the same or differingdeposition methods.

Vapor deposition processes exemplarily comprise thermal (co)evaporation,chemical vapor deposition and physical vapor deposition. For activematrix OLED display, an AMOLED backplane is used as substrate. Theindividual layer may be processed from solutions or dispersionsemploying adequate solvents. Solution deposition process exemplarilycomprise spin coating, dip coating and jet printing. Liquid processingmay optionally be carried out in an inert atmosphere (e.g., in anitrogen atmosphere) and the solvent may optionally be completely orpartially removed by means known in the state of the art.

EXAMPLES General Synthesis Scheme I

General Procedure for Synthesis AAV1

2-(3-chloro-4-fluoro-phenyl)-4,6-diphenyl-1,3,5-triazine (1.00equivalent), 5-trifluoromethyl-2-fluorophenylboronic ester (1.5equivalents), Pd₂(dba)₃ ([Tris(dibenzylideneacetone)dipalladium 0)];0.04 equivalents), X-Phos(2-(dicyclohexylphosphino)-2″,4″,6″-triisopropylbiphenyl, 0.16equivalents) and tribasic potassium phosphate (2.50 equivalents) arestirred under nitrogen atmosphere in a toluene/water mixture (ratio of3:1) at 110° C. overnight. To the reaction mixture Celite® and activecarbon are added and stirred at 110° C. for 15 min.

Subsequently the reaction mixture is hot-filtered and the residue washedwith toluene. The reaction mixture is poured into 300 mL of a saturatedsodium chloride solution and extracted with ethyl acetate. The combinedorganic phases are washed with saturated sodium chloride solution, driedover MgSO₄ and the solvent is evaporated under reduced pressure. Theresidue is purified by chromatography (or by recrystallization oralternatively is stirred in hot ethanol and filtered) and the product isobtained as solid.

General Procedure for Synthesis AAV2

The synthesis of Z2 is carried out according to AAV1, wherein2-(4-chloro-3-fluoro-phenyl)-4,6-diphenyl-1,3,5-triazine reacts with5-trifluoromethyl-2-fluorophenylboronic ester.

General Procedure for Synthesis AAV3

The synthesis of Z3 is carried out according to AAV1, wherein2-(3-chloro-4-fluoro-phenyl)-4,6-diphenyl-1,3,5-triazine reacts with4-trifluoromethyl-2-fluorophenylboronic ester.

General Procedure for Synthesis AAV4

The synthesis of Z4 is carried out according to AAV1, wherein2-(4-chloro-3-fluoro-phenyl)-4,6-diphenyl-1,3,5-triazine reacts with4-trifluoromethyl-2-fluorophenylboronic ester.

General Procedure for Synthesis AAV5:

Z1, Z2, Z3 or Z4 (1 equivalent each), the corresponding donor moleculeD-H (2.10 equivalents) and tribasic potassium phosphate (4.20equivalents) are suspended under nitrogen atmosphere in DMSO and stirredat 120° C. (20 h). Subsequently the reaction mixture is poured into asaturated sodium chloride solution and the precipitate is filtered andwashed with water. The solid is then dissolved in dichloromethane, driedover MgSO₄ and the solvent is evaporated under reduced pressure. Thecrude product is purified by recrystallization out of ethanol or byflash chromatography. The product is obtained as a solid.

In particular, the donor molecule D-H is a 3,6-substituted carbazole(e.g., 3,6-dimethylcarbazole, 3,6-diphenylcarbazole,3,6-di-tert-butylcarbazole), a 2,7-substituted carbazole (e.g.,2,7-dimethylcarbazole, 2,7-diphenylcarbazole,2,7-di-tert-butylcarbazole), a 1,8-substituted carbazole (e.g.,1,8-dimethylcarbazole, 1,8-diphenylcarbazole,1,8-di-tert-butylcarbazole), a 1-substituted carbazole (e.g.,1-methylcarbazole, 1-phenylcarbazole, 1-tert-butylcarbazole), a2-substituted carbazole (e.g., 2-methylcarbazole, 2-phenylcarbazole,2-tert-butylcarbazole), or a 3-substituted carbazole (e.g.,3-methylcarbazole, 3-phenylcarbazole, 3-tert-butylcarbazole).

Exemplarily a halogen-substituted carbazole, particularly3-bromocarbazole, can be used as D-H.

In a subsequent reaction a boronic acid ester functional group orboronic acid functional group may be exemplarily introduced at theposition of the one or more halogen substituents, which was introducedvia D-H, to yield the corresponding carbazol-3-ylboronic acid ester orcarbazol-3-ylboronic acid, e.g., via the reaction withbis(pinacolato)diboron (CAS No. 73183-34-3). Subsequently, one or moresubstituents R^(a) may be introduced in place of the boronic acid estergroup or the boronic acid group via a coupling reaction with thecorresponding halogenated reactant R^(a)-Hal, preferably R^(a)—CI andR^(a)—Br.

Alternatively, one or more substituents R^(a) may be introduced at theposition of the one or more halogen substituents, which was introducedvia D-H, via the reaction with a boronic acid of the substituent R^(a)[R^(a)—B(OH)₂] or a corresponding boronic acid ester.

Cyclic Voltammetry

Cyclic voltammograms are measured from solutions having concentration of10⁻³ mol/L of the organic molecules in dichloromethane or a suitablesolvent and a suitable supporting electrolyte (e.g. 0.1 mol/L oftetrabutylammonium hexafluorophosphate). The measurements are conductedat room temperature under nitrogen atmosphere with a three-electrodeassembly (Working and counter electrodes: Pt wire, reference electrode:Pt wire) and calibrated using FeCp₂/FeCp₂ ⁺ as internal standard. TheHOMO data was corrected using ferrocene as internal standard againstSCE.

Density Functional Theory Calculation

Molecular structures are optimized employing the BP86 functional and theresolution of identity approach (RI). Excitation energies are calculatedusing the (BP86) optimized structures employing Time-Dependent DFT(TD-DFT) methods. Orbital and excited state energies are calculated withthe B3LYP functional. Def2-SVP basis sets (and a m4-grid for numericalintegration are used. The Turbomole program package is used for allcalculations.

Photophysical Measurements

Sample pretreatment: Spin-coatingApparatus: Spin 150, SPS euro.The sample concentration is 10 mg/ml, dissolved in a suitable solvent.Program: 1) 3 s at 400 U/min; 20 s at 1000 U/min at 1000 Upm/s. 3) 10 sat 4000 U/min at 1000 Upm/s. After coating, the films are tried at 70°C. for 1 min.

Photoluminescence Spectroscopy and TCSPC (Time-Correlated Single-PhotonCounting)

Steady-state emission spectroscopy is measured by a Horiba Scientific,Modell FluoroMax-4 equipped with a 150 W Xenon-Arc lamp, excitation- andemissions monochromators and a Hamamatsu R928 photomultiplier and atime-correlated single-photon counting option. Emissions and excitationspectra are corrected using standard correction fits.

Excited state lifetimes are determined employing the same system usingthe TCSPC method with FM-2013 equipment and a Horiba Y von TCSPC hub.

Excitation Sources:

NanoLED 370 (wavelength: 371 nm, puls duration: 1.1 ns)NanoLED 290 (wavelength: 294 nm, puls duration: <1 ns)SpectraLED 310 (wavelength: 314 nm)SpectraLED 355 (wavelength: 355 nm).

Data analysis (exponential fit) is done using the software suiteDataStation and DAS6 analysis software. The fit is specified using thechi-squared-test.

Photoluminescence Quantum Yield Measurements

For photoluminescence quantum yield (PLQY) measurements an Absolute PLQuantum Yield Measurement C9920-03G system (Hamamatsu Photonics) isused. Quantum yields and CIE coordinates are determined using thesoftware U6039-05 version 3.6.0. Emission maxima are given in nm,quantum yields ϕ in % and CIE coordinates as x,y values. PLQY isdetermined using the following protocol:

-   -   1) Quality assurance: Anthracene in ethanol (known        concentration) is used as reference.    -   2) Excitation wavelength: the absorption maximum of the organic        molecule is determined and the molecule is excited using this        wavelength.    -   3) Measurement        -   Quantum yields are measured for sample of solutions or films            under nitrogen atmosphere. The yield is calculated using the            equation:

$\Phi_{PL} = {\frac{n_{photon},{emited}}{n_{photon},{absorbed}} = \frac{\int{{\frac{\lambda}{hc}\left\lbrack {{{Int}_{emitted}^{sample}(\lambda)} - {{Int}_{absorbed}^{sample}(\lambda)}} \right\rbrack}d\; \lambda}}{\int{{\frac{\lambda}{hc}\left\lbrack {{{Int}_{emitted}^{reference}(\lambda)} - {{Int}_{absorbed}^{reference}(\lambda)}} \right\rbrack}d\; \lambda}}}$

-   -   -   wherein n_(photon) denotes the photon count and Int. the            intensity.

Production and Characterization of Organic Electroluminescence Devices

OLED devices comprising organic molecules according to the invention canbe produced via vacuum-deposition methods. If a layer contains more thanone compound, the weight-percentage of one or more compounds is given in%. The total weight-percentage values amount to 100%, thus if a value isnot given, the fraction of this compound equals to the differencebetween the given values and 100%.

The not fully optimized OLEDs are characterized using standard methodsand measuring electroluminescence spectra, the external quantumefficiency (in %) in dependency on the intensity, calculated using thelight detected by the photodiode, and the current. The OLED devicelifetime is extracted from the change of the luminance during operationat constant current density. The LT50 value corresponds to the time,where the measured luminance decreased to 50% of the initial luminance,analogously LT80 corresponds to the time point, at which the measuredluminance decreased to 80% of the initial luminance, LT 95 to the timepoint, at which the measured luminance decreased to 95% of the initialluminance etc. Accelerated lifetime measurements are performed (e.g.applying increased current densities). Exemplarily LT80 values at 500cd/m² are determined using the following equation:

${{LT}\; 80\left( {500\; \frac{c\; d^{2}}{m^{2}}} \right)} = {{LT}\; 80\left( L_{0} \right)\left( \frac{L_{0}}{500\mspace{11mu} \frac{c\; d^{2}}{m^{2}}} \right)^{1.6}}$

wherein L₀ denotes the initial luminance at the applied current density.

The values correspond to the average of several pixels (typically two toeight), the standard deviation between these pixels is given.

HPLC-MS:

HPLC-MS spectroscopy is performed on a HPLC by Agilent (1100 series)with MS-detector (Thermo LTQ XL). A reverse phase column 4.6 mm×150 mm,particle size 5.0 μm from Waters (without pre-column) is used in theHPLC. The HPLC-MS measurements are performed at room temperature (rt)with the solvents acetonitrile, water and THF in the followingconcentrations:

solvent A: H₂O (90%) MeCN (10%)solvent B: H₂O (10%) MeCN (90%)

-   -   THF        solvent C: (100%)

From a solution with a concentration of 0.5 mg/ml an injection volume of15 μL is taken for the measurements. The following gradient is used:

Flow rate [ml/min] time [min] A[%] B[%] D[%] 3 0 40 50 10 3 10 10 15 753 16 10 15 75 3 16.01 40 50 10 3 20 40 50 10

Ionisation of the probe is performed by APCI (atmospheric pressurechemical ionization).

Example 1

Example 1 was synthesized according to AAV1 and AAV5, wherein thesynthesis AAV5 had a yield of 99% yield.

MS (HPLC-MS):

Molecular Formula Retention Time m/z calculated m/z found C₅₂H₃₂F₃N₅25.47 min 783.26 783.25

FIG. 1 depicts the emission spectrum of example 1 (10% by weight inPMMA). The emission maximum (λ_(max)) is at 460 nm. Thephotoluminescence quantum yield (PLQY) is 86%, the full width at halfmaximum (FWHM) is 0.41 eV and the emission lifetime is 203 μs. Theresulting CIE_(x) coordinate is 0.15 and the CIE_(y) coordinate is 0.17.

Example 2

Example 2 was synthesized according to AAV1 and AAV5, wherein thesynthesis AAV5 had a yield of 80% yield.

MS (HPLC-MS):

Molecular Formula Retention Time m/z calculated m/z found C₇₆H₄₈F₃N₅28.01 min 1087.39 1087.43

FIG. 2 depicts the emission spectrum of example 2 (10% by weight inPMMA). The emission maximum (λ_(max)) is at 476 nm. Thephotoluminescence quantum yield (PLQY) is 92%, the full width at halfmaximum (FWHM) is 0.40 eV and the emission lifetime is 56 μs. Theresulting CIE_(x) coordinate is 0.17 and the CIE_(y) is 0.28.

Additional Examples of the Invention

Although illustrative embodiments of the present invention have beendescribed herein with reference to the accompanying drawings, it is tobe understood that the invention is not limited to those preciseembodiments, and that various other changes and modifications may bemade by one skilled in the art without departing from the scope orspirit of the invention.

What is claimed is:
 1. An organic molecule, comprising a first chemicalmoiety comprising a structure of Formula I,

and two second chemical moieties, each independently from anothercomprising a structure of Formula II,

wherein the first chemical moiety is linked to each of the two secondchemical moieties via a single bond; wherein T is selected from thegroup consisting of R^(A) and R¹; V is selected from the groupconsisting of R^(A) and R¹; W is the binding site of a single bondlinking the first chemical moiety to one of the two second chemicalmoieties or is selected from the group consisting of R^(A) and R²; X isthe binding site of a single bond linking the first chemical moiety toone of the two second chemical moieties or is selected from the groupconsisting of R^(A) and R²; Y is the binding site of a single bondlinking the first chemical moiety to one of the two second chemicalmoieties or is selected from the group consisting of R^(A) and R²; R^(A)comprises a structure of Formula Tz:

wherein the dotted bond represents the binding site of R^(A) to thesingle bond linking the first chemical moiety and R^(A); R^(T) isselected from the group consisting of CF₃ and R^(I); R^(V) is selectedfrom the group consisting of CF₃ and R^(I); R^(W) is the binding site ofa single bond linking the first chemical moiety to one of the two secondchemical moieties or is selected from the group consisting of CF₃ andR^(I); R^(X) is the binding site of a single bond linking the firstchemical moiety to one of the two second chemical moieties or isselected from the group consisting of CF₃ and R^(I); R^(Y) is thebinding site of a single bond linking the first chemical moiety to oneof the two second chemical moieties or is selected from the groupconsisting of CF₃ and R^(I). # represents the binding site of a singlebond linking the second chemical moieties to the first chemical moiety;Z is at each occurrence independently from another selected from thegroup consisting of: a direct bond, CR³R⁴, C═CR³R⁴, C═O, C═NR³, NR³, O,SiR³R⁴, S, S(O) and S(O)₂; R¹ is at each occurrence independently fromanother selected from the group consisting of: hydrogen, deuterium,C₁-C₅-alkyl, wherein one or more hydrogen atoms are optionallysubstituted by deuterium; C₂-C₈-alkenyl, wherein one or more hydrogenatoms are optionally substituted by deuterium; CO₂-C₈-alkynyl, whereinone or more hydrogen atoms are optionally substituted by deuterium; andC₆-C₁₈-aryl, which is optionally substituted with one or moresubstituents R⁶; R² is at each occurrence independently from anotherselected from the group consisting of: hydrogen, deuterium, C₁-C₅-alkyl,wherein one or more hydrogen atoms are optionally substituted bydeuterium; C₂-C₈-alkenyl, wherein one or more hydrogen atoms areoptionally substituted by deuterium; C₂-C₈-alkynyl, wherein one or morehydrogen atoms are optionally substituted by deuterium; and C₆-C₁₈-aryl,which is optionally substituted with one or more substituents R⁶; R^(I)is at each occurrence independently from another selected from the groupconsisting of: hydrogen, deuterium, C₁-C₅-alkyl, wherein one or morehydrogen atoms are optionally substituted by deuterium; C₂-C₈-alkenyl,wherein one or more hydrogen atoms are optionally substituted bydeuterium; C₂-C₈-alkynyl, wherein one or more hydrogen atoms areoptionally substituted by deuterium; and C₆-C₁₈-aryl, which isoptionally substituted with one or more substituents R⁶; R^(Tz) is ateach occurrence independently from another selected from the groupconsisting of hydrogen, deuterium, C₁-C₅-alkyl, wherein one or morehydrogen atoms are optionally substituted by deuterium; C₆-C₁₈-aryl,which is optionally substituted with one or more substituents R⁶; andC₃-C₁₇-heteroaryl, which is optionally substituted with one or moresubstituents R⁶; R^(a), R³ and R⁴ is at each occurrence independentlyfrom another selected from the group consisting of: hydrogen, deuterium,N(R⁵)₂, OR⁵, Si(R⁵)₃, B(OR⁵)₂, OSO₂R⁵, CF₃, CN, F, Br, I, C₁-C₄₀-alkyl,which is optionally substituted with one or more substituents R⁵ andwherein one or more non-adjacent CH₂-groups are optionally substitutedby R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O, C═S, C═Se, C═NR⁵,P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵; C₁-C₄₀-alkoxy, which isoptionally substituted with one or more substituents R⁵ and wherein oneor more non-adjacent CH₂-groups are optionally substituted by R⁵C═CR⁵,C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O, C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO,SO₂, NR⁵, O, S or CONR⁵; C₁-C₄₀-thioalkoxy, which is optionallysubstituted with one or more substituents R⁵ and wherein one or morenon-adjacent CH₂-groups are optionally substituted by R⁵C═CR⁵, C≡C,Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O, C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂,NR⁵, O, S or CONR⁵; C₂-C₄₀-alkenyl, which is optionally substituted withone or more substituents R⁵ and wherein one or more non-adjacentCH₂-groups are optionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂,Sn(R⁵)₂, C═O, C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;C₂-C₄₀-alkynyl, which is optionally substituted with one or moresubstituents R⁵ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵; C₆-C₆₀-aryl,which is optionally substituted with one or more substituents R⁵; andC₃-C₅₇-heteroaryl, which is optionally substituted with one or moresubstituents R⁵; R⁵ is at each occurrence independently from anotherselected from the group consisting of hydrogen, deuterium, N(R⁶)₂, OR⁶,Si(R⁶)₃, B(OR⁶)₂, OSO₂R⁶, CF₃, CN, F, Br, I, C₁-C₄₀-alkyl, which isoptionally substituted with one or more substituents R⁶ and wherein oneor more non-adjacent CH₂-groups are optionally substituted by R⁶C═CR⁶,C≡C, Si(R⁶)₂, Ge(R⁶)₂, Sn(R⁶)₂, C═O, C═S, C═Se, C═NR⁶, P(═O)(R⁶), SO,SO₂, NR⁶, O, S or CONR⁶; C₁-C₄₀-alkoxy, which is optionally substitutedwith one or more substituents R⁶ and wherein one or more non-adjacentCH₂-groups are optionally substituted by R⁶C═CR⁶, C≡C, Si(R⁶)₂, Ge(R⁶)₂,Sn(R⁶)₂, C═O, C═S, C═Se, C═NR⁶, P(═O)(R⁶), SO, SO₂, NR⁶, O, S or CONR⁶;C₁-C₄₀-thioalkoxy, which is optionally substituted with one or moresubstituents R⁶ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁶C═CR⁶, C≡C, Si(R⁶)₂, Ge(R⁶)₂, Sn(R⁶)₂, C═O,C═S, C═Se, C═NR⁶, P(═O)(R⁶), SO, SO₂, NR⁶, O, S or CONR⁶;C₂-C₄₀-alkenyl, which is optionally substituted with one or moresubstituents R⁶ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁶C═CR⁶, C≡C, Si(R⁶)₂, Ge(R⁶)₂, Sn(R⁶)₂, C═O,C═S, C═Se, C═NR⁶, P(═O)(R⁶), SO, SO₂, NR⁶, O, S or CONR⁶;C₂-C₄₀-alkynyl, which is optionally substituted with one or moresubstituents R⁶ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁶C═CR⁶, C≡C, Si(R⁶)₂, Ge(R⁶)₂, Sn(R⁶)₂, C═O,C═S, C═Se, C═NR⁶, P(═O)(R⁶), SO, SO₂, NR⁶, O, S or CONR⁶; C₆-C₆₀-aryl,which is optionally substituted with one or more substituents R⁶; andC₃-C₅₇-heteroaryl, which is optionally substituted with one or moresubstituents R⁶; R⁶ is at each occurrence independently from anotherselected from the group consisting of: hydrogen, deuterium, OPh, CF₃,CN, F, C₁-C₅-alkyl, wherein one or more hydrogen atoms are optionally,independently from each other substituted by deuterium, CN, CF₃, or F;C₁-C₅-alkoxy, wherein one or more hydrogen atoms are optionally,independently from each other substituted by deuterium, CN, CF₃, or F;C₁-C₅-thioalkoxy, wherein one or more hydrogen atoms are optionally,independently from each other substituted by deuterium, CN, CF₃, or F;C₂-C₅-alkenyl, wherein one or more hydrogen atoms are optionally,independently from each other substituted by deuterium, CN, CF₃, or F;C₂-C₅-alkynyl, wherein one or more hydrogen atoms are optionally,independently from each other substituted by deuterium, CN, CF₃, or F;C₆-C₁₈-aryl, which is optionally substituted with one or moreC₁-C₅-alkyl substituents; C₃-C₁₇-heteroaryl, which is optionallysubstituted with one or more C₁-C₅-alkyl substituents; N(C₆-C₁₈-aryl)₂;N(C₃-C₁₇-heteroaryl)₂, and N(C₃-C₁₇-heteroaryl)(C₆-C₁₈-aryl); wherein,optionally, the substituents R^(a), R³, R⁴ and/or R⁵ independently fromeach other form a mono- or polycyclic, aliphatic, aromatic and/orbenzo-f used ring system with one or more substituents R^(a), R³, R⁴and/or R⁵; wherein exactly one substituent selected from the groupconsisting of T, V, X, Y and W is R^(A), exactly one substituentselected from the group consisting of R^(T), R^(V), R^(X), R^(Y) andR^(W) is CF₃, exactly one substituent selected from the group consistingof W, Y and X represents the binding site of a single bond linking thefirst chemical moiety to one of the two second chemical moieties andexactly one substituent selected from the group consisting of R^(W),R^(Y) and R^(X) represents the binding site of a single bond linking thefirst chemical moiety to one of the two second chemical moieties.
 2. Theorganic molecule according to claim 1, wherein the first chemical moietycomprises a structure of Formula Ia:

wherein R^(Z) is selected from the group consisting of R^(I) and CF₃;R^(D) is the binding site of a single bond linking the first chemicalmoiety to one of the two second chemical moieties; Y^(D) is the bindingsite of a single bond linking the first chemical moiety to one of thetwo second chemical moieties; and wherein exactly one substituentselected from the group consisting of R^(V), R^(T) and R^(Z) is CF₃; andwherein for the other variables the definitions of claim 1 apply.
 3. Theorganic molecule according to claim 1, wherein R¹, R² and R^(I) is ateach occurrence independently from each other selected from the groupconsisting of: H, methyl, mesityl, tolyl, and phenyl.
 4. The organicmolecule according to claim 1, wherein R^(Tz) is independently from eachother selected from the group consisting of: H, methyl, and phenyl. 5.The organic molecule according to claim 1, wherein the two secondchemical moieties, each at each occurrence independently from anothercomprise a structure of Formula IIa:


6. The organic molecule according to claim 1, wherein the two secondchemical moieties, at each occurrence independently from anothercomprise a structure of Formula IIb:

wherein R^(b) is at each occurrence independently from another selectedfrom the group consisting of: deuterium, N(R⁵)₂, OR⁵, Si(R⁵)₃, B(OR⁵)₂,OSO₂R⁵, CF₃, CN, F, Br, I, C₁-C₄₀-alkyl, which is optionally substitutedwith one or more substituents R⁵ and wherein one or more non-adjacentCH₂-groups are optionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂,Sn(R⁵)₂, C═O, C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;C₁-C₄₀-alkoxy, which is optionally substituted with one or moresubstituents R⁵ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;C₁-C₄₀-thioalkoxy, which is optionally substituted with one or moresubstituents R⁵ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;C₂-C₄₀-alkenyl, which is optionally substituted with one or moresubstituents R⁵ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;C₂-C₄₀-alkynyl, which is optionally substituted with one or moresubstituents R⁵ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵; C₆-C₆₀-aryl,which is optionally substituted with one or more substituents R⁵; andC₃-C₅₇-heteroaryl, which is optionally substituted with one or moresubstituents R⁵; and wherein for the other variables the definitions ofclaim 1 apply.
 7. The organic molecule according to claim 1, wherein thetwo second chemical moieties, each at each occurrence independently fromanother comprise a structure of Formula IIc:

wherein R^(b) is at each occurrence independently from another selectedfrom the group consisting of deuterium, N(R⁵)₂, OR⁵, Si(R⁵)₃, B(OR⁵)₂,OSO₂R⁵, CF₃, CN, F, Br, I, C₁-C₄₀-alkyl, which is optionally substitutedwith one or more substituents R⁵ and wherein one or more non-adjacentCH₂-groups are optionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂,Sn(R⁵)₂, C═O, C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;C₁-C₄₀-alkoxy, which is optionally substituted with one or moresubstituents R⁵ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;C₁-C₄₀-thioalkoxy, which is optionally substituted with one or moresubstituents R⁵ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;C₂-C₄₀-alkenyl, which is optionally substituted with one or moresubstituents R⁵ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵;CO₂-C₄₀-alkynyl, which is optionally substituted with one or moresubstituents R⁵ and wherein one or more non-adjacent CH₂-groups areoptionally substituted by R⁵C═CR⁵, C≡C, Si(R⁵)₂, Ge(R⁵)₂, Sn(R⁵)₂, C═O,C═S, C═Se, C═NR⁵, P(═O)(R⁵), SO, SO₂, NR⁵, O, S or CONR⁵; C₆-C₆₀-aryl,which is optionally substituted with one or more substituents R⁵; andC₃-C₅₇-heteroaryl, which is optionally substituted with one or moresubstituents R⁵; and wherein for the other variables the definitions ofclaim 1 apply.
 8. The organic molecule according to claim 6, whereinR^(b) is at each occurrence independently from another selected from thegroup consisting of: Me, ^(i)Pr, ^(t)Bu, CN, CF₃, Ph, which isoptionally substituted with one or more substituents independently fromeach other selected from the group consisting of Me, ^(i)Pr, ^(t)Bu, CN,CF₃ and Ph; pyridinyl, which is optionally substituted with one or moresubstituents independently from each other selected from the groupconsisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃ and Ph; pyrimidinyl, which isoptionally substituted with one or more substituents independently fromeach other selected from the group consisting of Me, ^(i)Pr, ^(t)Bu, CN,CF₃ and Ph; carbazolyl, which is optionally substituted with one or moresubstituents independently from each other selected from the groupconsisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃ and Ph; triazinyl, which isoptionally substituted with one or more substituents independently fromeach other selected from the group consisting of Me, ^(i)Pr, ^(t)Bu, CN,CF₃, and Ph; and N(Ph)₂.
 9. The organic molecule according to claim 7,wherein R^(b) is at each occurrence independently from another selectedfrom the group consisting of: Me, ^(i)Pr, ^(t)Bu, CN, CF₃, Ph, which isoptionally substituted with one or more substituents independently fromeach other selected from the group consisting of Me, ^(i)Pr, ^(t)Bu, CN,CF₃ and Ph; pyridinyl, which is optionally substituted with one or moresubstituents independently from each other selected from the groupconsisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃ and Ph; pyrimidinyl, which isoptionally substituted with one or more substituents independently fromeach other selected from the group consisting of Me, ^(i)Pr, ^(t)Bu, CN,CF₃ and Ph; carbazolyl, which is optionally substituted with one or moresubstituents independently from each other selected from the groupconsisting of Me, ^(i)Pr, ^(t)Bu, CN, CF₃ and Ph; triazinyl, which isoptionally substituted with one or more substituents independently fromeach other selected from the group consisting of Me, ^(i)Pr, ^(t)Bu, CN,CF₃, and Ph; and N(Ph)₂.
 10. A composition, comprising: (a) at least oneorganic molecule according to claim 1, in particular in the form of anemitter and/or a host, and (b) one or more emitter and/or hostmaterials, which differ from the organic molecule of claim 1, and (c)optionally, one or more dyes and/or one or more solvents.
 11. Anoptoelectronic device, comprising an organic molecule according to claim1 or a composition according to claim
 10. 12. The optoelectronic deviceaccording to claim 11, comprising: a substrate, an anode, and a cathode,wherein the anode or the cathode are disposed on the substrate and atleast a light-emitting layer, which is arranged between anode andcathode and which comprises the organic molecule according to claim 1 ora composition according to claim
 10. 13. The optoelectronic deviceaccording to claim 12, in form of a device selected from the groupconsisting of: organic light-emitting diode (OLED), light-emittingelectrochemical cell, OLED-sensor, organic diode, organic solar cell,organic transistor, organic field-effect transistor, organic laser, anddown-conversion element.
 14. The optoelectronic device according toclaim 11, wherein the organic molecule is one or more of a luminescentemitter, a host material, an electron transport material, a holeinjection material and a hole blocking material in an optoelectronicdevice.
 15. The optoelectronic device according to claim 11, comprising:a substrate, an anode, and a cathode, wherein the anode or the cathodeare disposed on the substrate and at least a light-emitting layer, whichis arranged between anode and cathode and which comprises the organicmolecule according to claim 1 or a composition according to claim 11.16. A method for producing an optoelectronic device, wherein an organicmolecule according to claim 1 or a composition according to claim 10 isdeposited.
 17. The method according to claim 16, comprising depositingof the organic molecule by a vacuum evaporation method or from asolution.